(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine

C11H19NO — CID 143714331

IUPAC(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/CN)CCCOC
InChIInChI=1S/C11H19NO/c1-3-6-11(7-4-9-12)8-5-10-13-2/h3-4,6-7H,1,5,8-10,12H2,2H3/b7-4-,11-6+
InChIKeyZNJWOMUAENTWKF-MBHGMHKNSA-N
MW181.28 g/mol
LogP2.04
Rot. Bonds7

About (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine

(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine (PubChem CID 143714331) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine
PubChem CID143714331
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/CN)CCCOC
InChIInChI=1S/C11H19NO/c1-3-6-11(7-4-9-12)8-5-10-13-2/h3-4,6-7H,1,5,8-10,12H2,2H3/b7-4-,11-6+
InChIKeyZNJWOMUAENTWKF-MBHGMHKNSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl (Z)-4-aminobut-2-enoate
CID 124635031
4-methoxybutanamide
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(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
CID 143244884
4-methoxybutanamide;hydrochloride
CID 141117964
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
6-methoxyhex-1-en-3-ol
CID 105108568
2-[(3Z,5E)-5-(3-methoxypropyl)octa-3,5,7-trien-4-yl]sulfanylethanol
CID 88890747
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
CID 163240839
1,8-dimethoxyoctane-4,5-dione
CID 139993978
4-(2-methoxyethoxy)but-2-en-1-amine
CID 77110475
4-methoxybutyl prop-2-enoate
CID 22321356

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine (CID 143714331) is (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine is C=C/C=C(\C=C/CN)CCCOC.
What is the InChIKey of (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine?
The InChIKey is ZNJWOMUAENTWKF-MBHGMHKNSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-6-11(7-4-9-12)8-5-10-13-2/h3-4,6-7H,1,5,8-10,12H2,2H3/b7-4-,11-6+.
What are the key properties of (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine?
(2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-(3-methoxypropyl)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143714331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).